4,9-dimethoxy-1-phenyl-3-(3-phenylprop-2-enoxy)benzo[f]indazole

C28H24N2O3 — CID 163283694

IUPAC4,9-dimethoxy-1-phenyl-3-(3-phenylprop-2-enoxy)benzo[f]indazole
SMILESCOc1c2ccccc2c(OC)c2c1c(OCC=Cc1ccccc1)nn2-c1ccccc1
InChIInChI=1S/C28H24N2O3/c1-31-26-22-17-9-10-18-23(22)27(32-2)25-24(26)28(29-30(25)21-15-7-4-8-16-21)33-19-11-14-20-12-5-3-6-13-20/h3-18H,19H2,1-2H3
InChIKeyGLDIMFOZSCWZEX-UHFFFAOYSA-N
MW436.51 g/mol
LogP6.29
Rot. Bonds7

About 4,9-dimethoxy-1-phenyl-3-(3-phenylprop-2-enoxy)benzo[f]indazole

4,9-dimethoxy-1-phenyl-3-(3-phenylprop-2-enoxy)benzo[f]indazole (PubChem CID 163283694) has the molecular formula C28H24N2O3 and a molecular weight of 436.51 g/mol. Its IUPAC name is 4,9-dimethoxy-1-phenyl-3-(3-phenylprop-2-enoxy)benzo[f]indazole.

Molecular Properties

Compound Name4,9-dimethoxy-1-phenyl-3-(3-phenylprop-2-enoxy)benzo[f]indazole
PubChem CID163283694
Molecular FormulaC28H24N2O3
Molecular Weight436.51 g/mol
Exact Mass436.18
IUPAC Name4,9-dimethoxy-1-phenyl-3-(3-phenylprop-2-enoxy)benzo[f]indazole
SMILESCOc1c2ccccc2c(OC)c2c1c(OCC=Cc1ccccc1)nn2-c1ccccc1
InChIInChI=1S/C28H24N2O3/c1-31-26-22-17-9-10-18-23(22)27(32-2)25-24(26)28(29-30(25)21-15-7-4-8-16-21)33-19-11-14-20-12-5-3-6-13-20/h3-18H,19H2,1-2H3
InChIKeyGLDIMFOZSCWZEX-UHFFFAOYSA-N
XLogP6.29
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-4-(3-phenoxyprop-1-enyl)benzene
CID 67215625
2-[(E)-3-(4-bromophenyl)prop-2-enyl]-4,9-dimethoxy-1-phenylbenzo[f]indazol-3-one
CID 163283738
dimethoxy-methyl-(3-phenylprop-2-enoxy)silane
CID 74935148
5-bromo-4-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine
CID 80867240
dimethyl 3-[3-methoxy-4-(3-phenylprop-2-enoxy)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169389096
5-methyl-6-[(E)-3-phenylprop-2-enoxy]pyridine-3-carbaldehyde
CID 80631745
2-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine
CID 116797758
6-chloro-5-methoxy-3-[(E)-3-phenylprop-2-enyl]pyrimidin-4-one
CID 114585113
3-iodo-5-methoxy-4-(3-phenylprop-2-enoxy)benzaldehyde
CID 2975320
trimethoxy(5-phenylpent-4-enyl)silane
CID 57062369
5-iodo-4-(3-phenylprop-2-enoxy)pyrimidine
CID 77124768
ethyl-dimethoxy-(3-phenylprop-2-enoxy)silane;silane
CID 174815347

Frequently Asked Questions

What is the IUPAC name of 4,9-dimethoxy-1-phenyl-3-(3-phenylprop-2-enoxy)benzo[f]indazole?
The IUPAC name of 4,9-dimethoxy-1-phenyl-3-(3-phenylprop-2-enoxy)benzo[f]indazole (CID 163283694) is 4,9-dimethoxy-1-phenyl-3-(3-phenylprop-2-enoxy)benzo[f]indazole.
What is the SMILES notation for 4,9-dimethoxy-1-phenyl-3-(3-phenylprop-2-enoxy)benzo[f]indazole?
The canonical SMILES for 4,9-dimethoxy-1-phenyl-3-(3-phenylprop-2-enoxy)benzo[f]indazole is COc1c2ccccc2c(OC)c2c1c(OCC=Cc1ccccc1)nn2-c1ccccc1.
What is the InChIKey of 4,9-dimethoxy-1-phenyl-3-(3-phenylprop-2-enoxy)benzo[f]indazole?
The InChIKey is GLDIMFOZSCWZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O3/c1-31-26-22-17-9-10-18-23(22)27(32-2)25-24(26)28(29-30(25)21-15-7-4-8-16-21)33-19-11-14-20-12-5-3-6-13-20/h3-18H,19H2,1-2H3.
What are the key properties of 4,9-dimethoxy-1-phenyl-3-(3-phenylprop-2-enoxy)benzo[f]indazole?
4,9-dimethoxy-1-phenyl-3-(3-phenylprop-2-enoxy)benzo[f]indazole has a molecular weight of 436.51 g/mol, XLogP of 6.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethoxy-1-phenyl-3-(3-phenylprop-2-enoxy)benzo[f]indazole is sourced from PubChem (CID 163283694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).